update documentation to include pdb export

hng · Mar 29, 2015 · 118baaf · 118baaf
1 parent 47d3f6d
commit 118baaf
Showing 1 changed file with 8 additions and 1 deletion.
diff --git a/docs/pdb.md b/docs/pdb.md
@@ -20,4 +20,11 @@ Gets the chains of protein structure from a BioPython PyObject and returns an Ar
 structure_to_matrix(structure::PyObject)
 ```
 
-Converts a BioPython structure to a Array{Float64,2} matrix.
+Converts a BioPython structure to a Array{Float64,2} matrix.
+
+```julia
+export_to_pdb(residueName::String,chainID::String,matrix::Array{Float64,2}, filename::String)
+```
+
+Exports a matrix of C<sub>&alpha;</sub> atomic coordinates to a PDB File. As of now, it produces files as defined in the [PDB specification](http://deposit.rcsb.org/adit/docs/pdb_atom_format.html) (Section ATOM) with one minor difference: The atom name is right-aligned, because Formatting.jl does not center-aligning replacing (yet). This isn't in the specification, but [some descriptions](http://cupnet.net/tag/pdb/) include it.
+